N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide

C11H18N2O3S2 — CID 112689667

IUPACN-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)s1
InChIInChI=1S/C11H18N2O3S2/c1-4-5-6-13(3)11(14)9-7-10(8(2)17-9)18(12,15)16/h7H,4-6H2,1-3H3,(H2,12,15,16)
InChIKeyABXRQGDFMYCOPO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.58
Rot. Bonds5

About N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide

N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide (PubChem CID 112689667) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
PubChem CID112689667
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)s1
InChIInChI=1S/C11H18N2O3S2/c1-4-5-6-13(3)11(14)9-7-10(8(2)17-9)18(12,15)16/h7H,4-6H2,1-3H3,(H2,12,15,16)
InChIKeyABXRQGDFMYCOPO-UHFFFAOYSA-N
XLogP1.58
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide (CID 112689667) is N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide is CCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)s1.
What is the InChIKey of N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is ABXRQGDFMYCOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-4-5-6-13(3)11(14)9-7-10(8(2)17-9)18(12,15)16/h7H,4-6H2,1-3H3,(H2,12,15,16).
What are the key properties of N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide?
N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 112689667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).